3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

C10H14BrNOS — CID 60778340

IUPAC3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-7(2)6-12(3)10(13)9-8(11)4-5-14-9/h4-5,7H,6H2,1-3H3
InChIKeyRWAIFMOICLCFFZ-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.24
Rot. Bonds3

About 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 60778340) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID60778340
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-7(2)6-12(3)10(13)9-8(11)4-5-14-9/h4-5,7H,6H2,1-3H3
InChIKeyRWAIFMOICLCFFZ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920
3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
1-(3-bromothiophen-2-yl)-5-methylhexan-1-one
CID 115795448
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
2-[bis(3-methylbutyl)amino]-1-(3-bromothiophen-2-yl)ethanone
CID 107870487
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 60778340) is 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is RWAIFMOICLCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7(2)6-12(3)10(13)9-8(11)4-5-14-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 276.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).